logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


OAKWOOD-ZINC04242310

 MMsINC code: MMs02548516
Type: Neutral
Formula: C12H12O4
SMILES:   OC(=O)c1ccccc1C(C(=O)C)C(=O)C
InChI:   InChI=1/C12H12O4/c1-7(13)11(8(2)14)9-5-3-4-6-10(9)12(15)16/h3-6,11H,1-2H3,(H,15,16)

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=56.6145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.224 g/mol  logS: -1.94129  SlogP: 1.6464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.273388  Sterimol/B1: 2.31137  Sterimol/B2: 4.16756  Sterimol/B3: 5.4974
  Sterimol/B4: 6.07782  Sterimol/L: 10.914 
 
 Surface and Volume Properties
  Accessible surface: 407.229  Positive charged surface: 228.593  Negative charged surface: 178.636  Volume: 205.375
  Hydrophobic surface: 272.955  Hydrophilic surface: 134.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02548517
OAKWOOD-ZINC04242310


MMs02548518
OAKWOOD-ZINC04242310


MMs02548520
OAKWOOD-ZINC04242310


MMs02548521
OAKWOOD-ZINC04242310


MMs02548519
OAKWOOD-ZINC04242310